A copy of this work was available on the public web and has been preserved in the Wayback Machine. The capture dates from 2022; you can also visit the original URL.
The file type is application/pdf.
Why does thionating a carbonyl molecule make it a better electron acceptor?
2023
Physical Chemistry, Chemical Physics - PCCP
Preserved Fulltext
Compared with the (2p)C/(2p)O orbital interactions, the smaller (2p)C/(3p)S overlap in thionated molecules results in a weaker antibonding character in the LUMO, and hence the superior electron affinity, despite the lower electronegativity of sulfur.
doi:10.1039/d2cp05186a
pmid:36537028
fatcat:oift4vsw6rfftfcefi2zylhkji